Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNDVFLKALPVLQKLTTAGFEAYFVGGSVRDYLLNRTISDVDIATSAFPEEVKEIFQSTYDTGIAHGTVTVRENNEFYEVTTFRTEGTYEDFRRPSEVKFIRSLEEDLQRRDFTMNAIAMDE-HFALHDPFSGQEAIKNKAIKAVGKASERFHEDALRMMRGVRFLSQLDFQLDSETEKALESQIGLLQHTSVERITVEWLKMIKGPAIRRAMDLLLKVEMETYL-PGLKGEKKA----------LTEFGSWD-W---GKRTTDDAIWLGLV-----VTVQPNN------------------VNAFLKAWKLPNKTIQLVSKAYQYALKMKETWLAEELYHAGKAVFSLVNELNIIRGKENNQHKLSQAYEALPIHSKKDLAITGADLLKWSGESAGPWVKETLDKLECGVLCNEINNEKNQIKRWLGYHEE |
| 3AQL Chain:A ((16-352)) | --DISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFRG-------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPIPRLATLLNDIPPAHLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYFTENGDSPMERIIEQVLKNTDTRIHNDMRVNPAFLFAAMFWYPLLETAQKIAQESGLTYHDAFALAMNDVLDEACRSLAIPKRLTTLTRDIWQLQLR------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148255 for 2059 contacts (-72.0/contact) +
2D Compatibility (PS) -28543 + (NN) -6985 + (LL) 7932
1D Compatibility (HY) -19600 + (ID) 3950
Total energy: -199401.0 ( -96.84 by residue)
QMean score : 0.463
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